Re: bug (or user error...) in relax-1.3.4 -- November 16, 2009 - 17:06

Dear Jolyon,

This is most definitely a bug in relax!  This doesn't appear to be
listed at https://gna.org/bugs/?group=relax (after changing the
display criteria to show all bugs).  Would you be able to create a bug
report?  This will help in tracking down the issue.  Executing the
full_analysis.py script with DIFF_MODEL='final' has been done many
times before on protein systems without issue, so this must be
something specific to your system.  The fix is quite easy for me to
make, but it would be of significant help if you could provide a
little more information so that I can replicate the bug.  Ideally if
you could create a tiny data set of 1 or 2 residues which replicates
the problem - with script - then attaching this to the bug report will
allow me to instantly and permanently fix the bug (by putting this
problem into the test suite).  The data can be randomised if you
prefer that no one sees it yet.

Cheers,

Edward



2009/11/16 Jolyon Claridge <jolyon.claridge@xxxxxxxxxxxxxx>:
> Hi,
>
> when running the script: full_analysis.py with the DIFF_MODEL set to
> 'final' (after running the local_tm, sphere, ellipsoid, oblate and
> prolate models) I get the following traceback:
>
>  relax> monte_carlo.setup(number=500)
>
> relax> monte_carlo.create_data(method='back_calc')
> Traceback (most recent call last):
>  File "/usr/local/relax-1.3.4/relax", line 418, in <module>
>    Relax()
>  File "/usr/local/relax-1.3.4/relax", line 127, in __init__
>    self.interpreter.run(self.script_file)
>  File "/usr/local/relax-1.3.4/prompt/interpreter.py", line 276, in run
>    return run_script(intro=self.__intro_string, local=self.local,
> script_file=script_file, quit=self.__quit_flag,
> show_script=self.__show_script, raise_relax_error=self.__raise_relax_error)
>  File "/usr/local/relax-1.3.4/prompt/interpreter.py", line 537, in
> run_script
>    return console.interact(intro, local, script_file, quit,
> show_script=show_script, raise_relax_error=raise_relax_error)
>  File "/usr/local/relax-1.3.4/prompt/interpreter.py", line 433, in
> interact_script
>    execfile(script_file, local)
>  File "full_analysis.py", line 671, in <module>
>    Main(self.relax)
>  File "full_analysis.py", line 367, in __init__
>    monte_carlo.create_data()
>  File "/usr/local/relax-1.3.4/prompt/monte_carlo.py", line 91, in
> create_data
>    monte_carlo.create_data(method=method)
>  File "/usr/local/relax-1.3.4/generic_fns/monte_carlo.py", line 72, in
> create_data
>    data = create_mc_data(data_index)
>  File "/usr/local/relax-1.3.4/specific_fns/model_free/main.py", line
> 508, in create_mc_data
>    value = self.back_calc(index=global_index,
> ri_label=spin.ri_labels[j],
> frq_label=spin.frq_labels[spin.remap_table[j]],
> frq=spin.frq[spin.remap_table[j]])
>  File "/usr/local/relax-1.3.4/specific_fns/model_free/mf_minimise.py",
> line 61, in back_calc
>    value = self.minimise(min_algor='back_calc', min_options=(index,
> ri_label, frq_label, frq))
>  File "/usr/local/relax-1.3.4/specific_fns/model_free/mf_minimise.py",
> line 773, in minimise
>    if not spin.model:
> AttributeError: 'SpinContainer' object has no attribute 'model'
>
> This is on a Linux 32 bit system.
>
> Can you tell me what is wrong?
>
> cheers,
> Jo Claridge
>
> --
> Dr. Jolyon Claridge
> Research Associate
> Laboratory of Molecular Biophysics      jolyon.claridge@xxxxxxxxxxxxxx
> University of Oxford                    Tel: ++44 (0)1865 613200
> Oxford, U.K., OX1 3QU
>
>
> _______________________________________________
> relax (http://nmr-relax.com)
>
> This is the relax-users mailing list
> relax-users@xxxxxxx
>
> To unsubscribe from this list, get a password
> reminder, or change your subscription options,
> visit the list information page at
> https://mail.gna.org/listinfo/relax-users